2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide

C17H25N3O4 — CID 110127556

IUPAC2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25N3O4/c1-2-24-17-12(4-3-7-18-17)16(22)19-13-5-6-14(15(13)21)20-8-10-23-11-9-20/h3-4,7,13-15,21H,2,5-6,8-11H2,1H3,(H,19,22)/t13-,14-,15-/m1/s1
InChIKeyQFQZQBPNWAURGS-RBSFLKMASA-N
MW335.40 g/mol
LogP0.43
Rot. Bonds5

About 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide

2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide (PubChem CID 110127556) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide
PubChem CID110127556
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25N3O4/c1-2-24-17-12(4-3-7-18-17)16(22)19-13-5-6-14(15(13)21)20-8-10-23-11-9-20/h3-4,7,13-15,21H,2,5-6,8-11H2,1H3,(H,19,22)/t13-,14-,15-/m1/s1
InChIKeyQFQZQBPNWAURGS-RBSFLKMASA-N
XLogP0.43
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide (CID 110127556) is 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide?
The InChIKey is QFQZQBPNWAURGS-RBSFLKMASA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-24-17-12(4-3-7-18-17)16(22)19-13-5-6-14(15(13)21)20-8-10-23-11-9-20/h3-4,7,13-15,21H,2,5-6,8-11H2,1H3,(H,19,22)/t13-,14-,15-/m1/s1.
What are the key properties of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide?
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 110127556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).